3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione

C16H20N4O3 — CID 170027641

IUPAC3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione
SMILESCNc1cccc2c(C3CCC(=O)NC3=O)nn(CCOC)c12
InChIInChI=1S/C16H20N4O3/c1-17-12-5-3-4-10-14(11-6-7-13(21)18-16(11)22)19-20(15(10)12)8-9-23-2/h3-5,11,17H,6-9H2,1-2H3,(H,18,21,22)
InChIKeyNNLAJIOGHJYXSX-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.24
Rot. Bonds5

About 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione

3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione (PubChem CID 170027641) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione
PubChem CID170027641
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione
SMILESCNc1cccc2c(C3CCC(=O)NC3=O)nn(CCOC)c12
InChIInChI=1S/C16H20N4O3/c1-17-12-5-3-4-10-14(11-6-7-13(21)18-16(11)22)19-20(15(10)12)8-9-23-2/h3-5,11,17H,6-9H2,1-2H3,(H,18,21,22)
InChIKeyNNLAJIOGHJYXSX-UHFFFAOYSA-N
XLogP1.24
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione (CID 170027641) is 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione is CNc1cccc2c(C3CCC(=O)NC3=O)nn(CCOC)c12.
What is the InChIKey of 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione?
The InChIKey is NNLAJIOGHJYXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-17-12-5-3-4-10-14(11-6-7-13(21)18-16(11)22)19-20(15(10)12)8-9-23-2/h3-5,11,17H,6-9H2,1-2H3,(H,18,21,22).
What are the key properties of 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione?
3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione has a molecular weight of 316.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 170027641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).